8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid

C27H19F4N5O3 — CID 140861915

IUPAC8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccccc1-c1ccn2c(C(=O)O)cnc2c1NC(=O)c1cc(-c2ccn(C)n2)c(C(F)(F)F)cc1F
InChIInChI=1S/C27H19F4N5O3/c1-14-5-3-4-6-15(14)16-7-10-36-22(26(38)39)13-32-24(36)23(16)33-25(37)18-11-17(21-8-9-35(2)34-21)19(12-20(18)28)27(29,30)31/h3-13H,1-2H3,(H,33,37)(H,38,39)
InChIKeyQEWCBDPYWFOSEI-UHFFFAOYSA-N
MW537.47 g/mol
LogP5.82
Rot. Bonds5

About 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid

8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 140861915) has the molecular formula C27H19F4N5O3 and a molecular weight of 537.47 g/mol. Its IUPAC name is 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID140861915
Molecular FormulaC27H19F4N5O3
Molecular Weight537.47 g/mol
Exact Mass537.14
IUPAC Name8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCc1ccccc1-c1ccn2c(C(=O)O)cnc2c1NC(=O)c1cc(-c2ccn(C)n2)c(C(F)(F)F)cc1F
InChIInChI=1S/C27H19F4N5O3/c1-14-5-3-4-6-15(14)16-7-10-36-22(26(38)39)13-32-24(36)23(16)33-25(37)18-11-17(21-8-9-35(2)34-21)19(12-20(18)28)27(29,30)31/h3-13H,1-2H3,(H,33,37)(H,38,39)
InChIKeyQEWCBDPYWFOSEI-UHFFFAOYSA-N
XLogP5.82
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.47
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291191
N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 91933887
US9862707, Example 5
CID 118394045
N-[6-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118408591
N-[2-(2-amino-2-oxoethyl)-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393342
2-fluoro-5-(1-methylpyrazol-3-yl)-N-[2-[(1-methyltetrazol-5-yl)methyl]-4-phenylpyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 118393402
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(2-((2-oxoimidazolidin-1-yl)methyl)-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 118393419
2-fluoro-N-[2-[(3-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393434
N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393464
N-(2-((2,5-dioxoimidazolidin-1-yl)methyl)-4-phenylpyrimidin-5-yl)-2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118393557
[5-[[2-Fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-4-phenylpyrimidin-2-yl]methyl carbamate
CID 118393560
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(2-((2-oxopyrrolidin-1-yl)methyl)-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 118393704

Frequently Asked Questions

What is the IUPAC name of 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CID 140861915) is 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid is Cc1ccccc1-c1ccn2c(C(=O)O)cnc2c1NC(=O)c1cc(-c2ccn(C)n2)c(C(F)(F)F)cc1F.
What is the InChIKey of 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is QEWCBDPYWFOSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F4N5O3/c1-14-5-3-4-6-15(14)16-7-10-36-22(26(38)39)13-32-24(36)23(16)33-25(37)18-11-17(21-8-9-35(2)34-21)19(12-20(18)28)27(29,30)31/h3-13H,1-2H3,(H,33,37)(H,38,39).
What are the key properties of 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid?
8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 537.47 g/mol, XLogP of 5.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 140861915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).